Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6830205 | 0.82 | TDP1 (0.39) | SLC1A3SLC1A2SLC1A1TDP1MAPK1 | |
| SCHEMBL1008665 | 0.81 | SLC1A3 (0.41) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL5860242 | 0.78 | SLC1A3 (0.48) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL28237219 | 0.77 | CHRM1 (0.48) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL28875694 | 0.75 | CHRM1 (0.46) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL21269030 | 0.75 | CHRM1 (0.46) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL28315557 | 0.75 | CHRM1 (0.46) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL21269286 | 0.75 | CHRM1 (0.46) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| Magnesium SCHEMBL29456134 | 0.75 | CHRM1 (0.46) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 | |
| SCHEMBL21269807 | 0.75 | CHRM1 (0.46) | SLC1A3SLC1A2SLC1A1CHRM1AKR1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004076425-A1 | IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS | CARNEGIE MELLON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |